Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK564923
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CCC[NH+](C)C)/[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H24ClN3O4 MW 429.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN3O4/c1-25(2)11-4-12-26-19(14-7-9-24-10-8-14)18(21(28)22(26)29)20(27)15-5-6-17(30-3)16(23)13-15/h5-10,13,19,27H,4,11-12H2,1-3H3/b20-18+InChIKey
NDUAKGBXIMPKCI-CZIZESTLSA-NSynonyms
(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(1(3(dimethylammonio)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY5(4PYRIDYL)3PYRROLIN2ONE
CN(C)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)Cl)O)C(=O)C1=O)C3=CC=NC=C3
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)(C)C)(O)
InChI=1SC22H24ClN3O4c125(2)114122619(14792410814)18(21(28)22(26)29)20(27)155617(303)16(23)1315h510131927H41112H213H3b2018+
MFCD18244649
ZINC000009186651
ZINC000009273376
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.